USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -135:sc= 1.02 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.877 USER MOD Set 2.1: A 25 SER OG : rot -110:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -148:sc= 2.3 (180deg=-0.348) USER MOD Set 2.3: A 29 HIS : no HE2:sc= 1.02 K(o=4.5,f=-16!) USER MOD Set 2.4: A 61 THR OG1 : rot 75:sc= 1.16 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.583 USER MOD Set 3.2: A 17 SER OG : rot 90:sc= 0.794 USER MOD Single : A 13 MET CE :methyl -162:sc= -1.02 (180deg=-2.27) USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.151 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.027 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.509 F(o=-1.7,f=-0.51) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 13:sc= 0.957 USER MOD Single : A 35 CYS SG : rot 60:sc= -1.81 USER MOD Single : A 41 THR OG1 : rot -19:sc= 0.715 USER MOD Single : A 42 ASN : amide:sc= 1.72 K(o=1.7,f=-0.035) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.21 (180deg=1.05) USER MOD Single : A 45 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-2.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=-0.081) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 22:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.517 -5.192 3.085 1.00 0.90 N ATOM 47 CA VAL A 5 8.392 -4.276 3.050 1.00 0.94 C ATOM 48 C VAL A 5 8.413 -3.636 1.662 1.00 1.08 C ATOM 49 O VAL A 5 9.397 -3.798 0.938 1.00 1.76 O ATOM 50 CB VAL A 5 8.507 -3.200 4.157 1.00 1.15 C ATOM 51 CG1 VAL A 5 8.723 -3.796 5.552 1.00 1.70 C ATOM 52 CG2 VAL A 5 9.629 -2.187 3.893 1.00 2.14 C ATOM 0 HA VAL A 5 7.454 -4.800 3.233 1.00 0.94 H new ATOM 0 HB VAL A 5 7.545 -2.689 4.129 1.00 1.15 H new ATOM 0 HG11 VAL A 5 8.796 -2.992 6.284 1.00 1.70 H new ATOM 0 HG12 VAL A 5 7.883 -4.443 5.806 1.00 1.70 H new ATOM 0 HG13 VAL A 5 9.644 -4.378 5.560 1.00 1.70 H new ATOM 0 HG21 VAL A 5 9.660 -1.459 4.703 1.00 2.14 H new ATOM 0 HG22 VAL A 5 10.585 -2.709 3.838 1.00 2.14 H new ATOM 0 HG23 VAL A 5 9.441 -1.673 2.950 1.00 2.14 H new ATOM 62 N LEU A 6 7.389 -2.855 1.321 1.00 0.73 N ATOM 63 CA LEU A 6 7.492 -1.874 0.250 1.00 0.73 C ATOM 64 C LEU A 6 6.815 -0.595 0.719 1.00 0.69 C ATOM 65 O LEU A 6 5.717 -0.654 1.271 1.00 0.95 O ATOM 66 CB LEU A 6 6.859 -2.410 -1.041 1.00 0.97 C ATOM 67 CG LEU A 6 6.965 -1.457 -2.244 1.00 1.24 C ATOM 68 CD1 LEU A 6 8.414 -1.090 -2.589 1.00 1.91 C ATOM 69 CD2 LEU A 6 6.336 -2.145 -3.460 1.00 1.83 C ATOM 0 H LEU A 6 6.476 -2.886 1.775 1.00 0.73 H new ATOM 0 HA LEU A 6 8.538 -1.669 0.022 1.00 0.73 H new ATOM 0 HB2 LEU A 6 7.335 -3.356 -1.299 1.00 0.97 H new ATOM 0 HB3 LEU A 6 5.807 -2.624 -0.854 1.00 0.97 H new ATOM 0 HG LEU A 6 6.448 -0.534 -1.981 1.00 1.24 H new ATOM 0 HD11 LEU A 6 8.425 -0.416 -3.445 1.00 1.91 H new ATOM 0 HD12 LEU A 6 8.878 -0.598 -1.734 1.00 1.91 H new ATOM 0 HD13 LEU A 6 8.970 -1.995 -2.833 1.00 1.91 H new ATOM 0 HD21 LEU A 6 6.401 -1.485 -4.325 1.00 1.83 H new ATOM 0 HD22 LEU A 6 6.869 -3.072 -3.670 1.00 1.83 H new ATOM 0 HD23 LEU A 6 5.290 -2.368 -3.251 1.00 1.83 H new ATOM 81 N GLU A 7 7.477 0.544 0.498 1.00 0.56 N ATOM 82 CA GLU A 7 6.900 1.865 0.647 1.00 0.58 C ATOM 83 C GLU A 7 6.563 2.391 -0.741 1.00 0.62 C ATOM 84 O GLU A 7 7.442 2.476 -1.605 1.00 0.86 O ATOM 85 CB GLU A 7 7.882 2.805 1.345 1.00 0.65 C ATOM 86 CG GLU A 7 8.173 2.358 2.777 1.00 0.68 C ATOM 87 CD GLU A 7 8.961 3.413 3.537 1.00 1.08 C ATOM 88 OE1 GLU A 7 8.488 4.573 3.529 1.00 1.92 O ATOM 89 OE2 GLU A 7 10.012 3.056 4.102 1.00 2.16 O ATOM 0 H GLU A 7 8.453 0.564 0.203 1.00 0.56 H new ATOM 0 HA GLU A 7 6.000 1.811 1.260 1.00 0.58 H new ATOM 0 HB2 GLU A 7 8.813 2.843 0.780 1.00 0.65 H new ATOM 0 HB3 GLU A 7 7.473 3.815 1.355 1.00 0.65 H new ATOM 0 HG2 GLU A 7 7.235 2.158 3.295 1.00 0.68 H new ATOM 0 HG3 GLU A 7 8.734 1.423 2.761 1.00 0.68 H new ATOM 96 N LEU A 8 5.299 2.755 -0.952 1.00 0.53 N ATOM 97 CA LEU A 8 4.865 3.366 -2.189 1.00 0.52 C ATOM 98 C LEU A 8 4.052 4.619 -1.897 1.00 0.55 C ATOM 99 O LEU A 8 3.173 4.612 -1.037 1.00 0.72 O ATOM 100 CB LEU A 8 4.209 2.336 -3.127 1.00 0.59 C ATOM 101 CG LEU A 8 3.189 1.355 -2.525 1.00 0.62 C ATOM 102 CD1 LEU A 8 1.788 1.958 -2.451 1.00 1.31 C ATOM 103 CD2 LEU A 8 3.112 0.128 -3.435 1.00 1.53 C ATOM 0 H LEU A 8 4.554 2.631 -0.266 1.00 0.53 H new ATOM 0 HA LEU A 8 5.725 3.715 -2.760 1.00 0.52 H new ATOM 0 HB2 LEU A 8 3.713 2.883 -3.928 1.00 0.59 H new ATOM 0 HB3 LEU A 8 5.004 1.750 -3.587 1.00 0.59 H new ATOM 0 HG LEU A 8 3.517 1.107 -1.516 1.00 0.62 H new ATOM 0 HD11 LEU A 8 1.101 1.230 -2.020 1.00 1.31 H new ATOM 0 HD12 LEU A 8 1.809 2.851 -1.827 1.00 1.31 H new ATOM 0 HD13 LEU A 8 1.453 2.224 -3.454 1.00 1.31 H new ATOM 0 HD21 LEU A 8 2.393 -0.583 -3.027 1.00 1.53 H new ATOM 0 HD22 LEU A 8 2.794 0.434 -4.432 1.00 1.53 H new ATOM 0 HD23 LEU A 8 4.093 -0.342 -3.495 1.00 1.53 H new ATOM 115 N VAL A 9 4.392 5.716 -2.577 1.00 0.56 N ATOM 116 CA VAL A 9 3.552 6.895 -2.584 1.00 0.68 C ATOM 117 C VAL A 9 2.270 6.507 -3.303 1.00 0.73 C ATOM 118 O VAL A 9 2.316 5.732 -4.258 1.00 0.96 O ATOM 119 CB VAL A 9 4.281 8.095 -3.226 1.00 0.93 C ATOM 120 CG1 VAL A 9 3.347 9.072 -3.956 1.00 1.30 C ATOM 121 CG2 VAL A 9 5.005 8.874 -2.122 1.00 1.20 C ATOM 0 H VAL A 9 5.246 5.803 -3.128 1.00 0.56 H new ATOM 0 HA VAL A 9 3.313 7.229 -1.574 1.00 0.68 H new ATOM 0 HB VAL A 9 4.964 7.683 -3.969 1.00 0.93 H new ATOM 0 HG11 VAL A 9 3.933 9.887 -4.380 1.00 1.30 H new ATOM 0 HG12 VAL A 9 2.824 8.547 -4.755 1.00 1.30 H new ATOM 0 HG13 VAL A 9 2.620 9.476 -3.251 1.00 1.30 H new ATOM 0 HG21 VAL A 9 5.526 9.726 -2.559 1.00 1.20 H new ATOM 0 HG22 VAL A 9 4.279 9.229 -1.391 1.00 1.20 H new ATOM 0 HG23 VAL A 9 5.726 8.222 -1.630 1.00 1.20 H new ATOM 131 N VAL A 10 1.142 7.027 -2.823 1.00 0.71 N ATOM 132 CA VAL A 10 -0.149 6.885 -3.464 1.00 0.75 C ATOM 133 C VAL A 10 -0.769 8.278 -3.525 1.00 0.85 C ATOM 134 O VAL A 10 -1.134 8.834 -2.490 1.00 1.18 O ATOM 135 CB VAL A 10 -1.020 5.821 -2.769 1.00 0.78 C ATOM 136 CG1 VAL A 10 -0.330 4.459 -2.755 1.00 1.19 C ATOM 137 CG2 VAL A 10 -1.354 6.137 -1.319 1.00 1.26 C ATOM 0 H VAL A 10 1.107 7.569 -1.959 1.00 0.71 H new ATOM 0 HA VAL A 10 -0.053 6.504 -4.481 1.00 0.75 H new ATOM 0 HB VAL A 10 -1.938 5.814 -3.357 1.00 0.78 H new ATOM 0 HG11 VAL A 10 -0.971 3.731 -2.258 1.00 1.19 H new ATOM 0 HG12 VAL A 10 -0.141 4.136 -3.779 1.00 1.19 H new ATOM 0 HG13 VAL A 10 0.616 4.536 -2.219 1.00 1.19 H new ATOM 0 HG21 VAL A 10 -1.969 5.338 -0.905 1.00 1.26 H new ATOM 0 HG22 VAL A 10 -0.432 6.221 -0.743 1.00 1.26 H new ATOM 0 HG23 VAL A 10 -1.900 7.079 -1.268 1.00 1.26 H new ATOM 147 N ARG A 11 -0.835 8.882 -4.714 1.00 0.88 N ATOM 148 CA ARG A 11 -1.517 10.162 -4.868 1.00 0.97 C ATOM 149 C ARG A 11 -3.030 9.921 -4.879 1.00 0.84 C ATOM 150 O ARG A 11 -3.482 8.780 -4.985 1.00 0.79 O ATOM 151 CB ARG A 11 -1.033 10.909 -6.120 1.00 1.30 C ATOM 152 CG ARG A 11 0.482 11.159 -6.081 1.00 1.44 C ATOM 153 CD ARG A 11 0.901 12.202 -7.128 1.00 2.16 C ATOM 154 NE ARG A 11 0.571 11.754 -8.490 1.00 3.31 N ATOM 155 CZ ARG A 11 0.546 12.511 -9.597 1.00 4.17 C ATOM 156 NH1 ARG A 11 0.937 13.789 -9.531 1.00 4.23 N ATOM 157 NH2 ARG A 11 0.133 12.002 -10.759 1.00 5.68 N ATOM 0 H ARG A 11 -0.429 8.509 -5.572 1.00 0.88 H new ATOM 0 HA ARG A 11 -1.276 10.808 -4.024 1.00 0.97 H new ATOM 0 HB2 ARG A 11 -1.284 10.330 -7.009 1.00 1.30 H new ATOM 0 HB3 ARG A 11 -1.557 11.861 -6.201 1.00 1.30 H new ATOM 0 HG2 ARG A 11 0.771 11.501 -5.087 1.00 1.44 H new ATOM 0 HG3 ARG A 11 1.012 10.224 -6.263 1.00 1.44 H new ATOM 0 HD2 ARG A 11 0.400 13.148 -6.923 1.00 2.16 H new ATOM 0 HD3 ARG A 11 1.973 12.386 -7.053 1.00 2.16 H new ATOM 0 HE ARG A 11 0.338 10.768 -8.604 1.00 3.31 H new ATOM 0 HH11 ARG A 11 1.251 14.181 -8.643 1.00 4.23 H new ATOM 0 HH12 ARG A 11 0.921 14.371 -10.368 1.00 4.23 H new ATOM 0 HH21 ARG A 11 -0.168 11.029 -10.811 1.00 5.68 H new ATOM 0 HH22 ARG A 11 0.118 12.586 -11.595 1.00 5.68 H new ATOM 171 N GLY A 12 -3.823 10.983 -4.725 1.00 1.06 N ATOM 172 CA GLY A 12 -5.276 10.887 -4.660 1.00 1.02 C ATOM 173 C GLY A 12 -5.740 10.647 -3.223 1.00 0.89 C ATOM 174 O GLY A 12 -6.666 11.304 -2.754 1.00 1.05 O ATOM 0 H GLY A 12 -3.470 11.936 -4.642 1.00 1.06 H new ATOM 0 HA2 GLY A 12 -5.723 11.804 -5.043 1.00 1.02 H new ATOM 0 HA3 GLY A 12 -5.620 10.074 -5.299 1.00 1.02 H new ATOM 178 N MET A 13 -5.090 9.721 -2.515 1.00 1.21 N ATOM 179 CA MET A 13 -5.340 9.469 -1.104 1.00 1.35 C ATOM 180 C MET A 13 -5.129 10.769 -0.325 1.00 1.66 C ATOM 181 O MET A 13 -4.052 11.359 -0.405 1.00 2.40 O ATOM 182 CB MET A 13 -4.396 8.354 -0.645 1.00 2.02 C ATOM 183 CG MET A 13 -4.587 7.945 0.821 1.00 1.01 C ATOM 184 SD MET A 13 -3.390 8.559 2.027 1.00 1.80 S ATOM 185 CE MET A 13 -1.881 7.796 1.410 1.00 0.99 C ATOM 0 H MET A 13 -4.368 9.121 -2.915 1.00 1.21 H new ATOM 0 HA MET A 13 -6.365 9.143 -0.926 1.00 1.35 H new ATOM 0 HB2 MET A 13 -4.546 7.480 -1.279 1.00 2.02 H new ATOM 0 HB3 MET A 13 -3.366 8.680 -0.790 1.00 2.02 H new ATOM 0 HG2 MET A 13 -5.578 8.274 1.135 1.00 1.01 H new ATOM 0 HG3 MET A 13 -4.583 6.856 0.869 1.00 1.01 H new ATOM 0 HE1 MET A 13 -1.123 7.802 2.194 1.00 0.99 H new ATOM 0 HE2 MET A 13 -2.088 6.768 1.114 1.00 0.99 H new ATOM 0 HE3 MET A 13 -1.516 8.355 0.548 1.00 0.99 H new ATOM 195 N THR A 14 -6.169 11.254 0.366 1.00 1.60 N ATOM 196 CA THR A 14 -6.171 12.618 0.890 1.00 2.11 C ATOM 197 C THR A 14 -7.134 12.788 2.079 1.00 1.86 C ATOM 198 O THR A 14 -7.517 13.903 2.419 1.00 2.32 O ATOM 199 CB THR A 14 -6.469 13.576 -0.285 1.00 2.65 C ATOM 200 OG1 THR A 14 -6.160 14.918 0.031 1.00 3.64 O ATOM 201 CG2 THR A 14 -7.925 13.485 -0.759 1.00 2.29 C ATOM 0 H THR A 14 -7.014 10.722 0.572 1.00 1.60 H new ATOM 0 HA THR A 14 -5.193 12.861 1.305 1.00 2.11 H new ATOM 0 HB THR A 14 -5.821 13.250 -1.099 1.00 2.65 H new ATOM 0 HG1 THR A 14 -6.480 15.123 0.934 1.00 3.64 H new ATOM 0 HG21 THR A 14 -8.082 14.178 -1.586 1.00 2.29 H new ATOM 0 HG22 THR A 14 -8.136 12.469 -1.092 1.00 2.29 H new ATOM 0 HG23 THR A 14 -8.592 13.744 0.063 1.00 2.29 H new ATOM 209 N CYS A 15 -7.530 11.696 2.743 1.00 1.92 N ATOM 210 CA CYS A 15 -8.457 11.759 3.871 1.00 1.87 C ATOM 211 C CYS A 15 -8.279 10.514 4.735 1.00 1.78 C ATOM 212 O CYS A 15 -7.961 9.454 4.200 1.00 2.28 O ATOM 213 CB CYS A 15 -9.899 11.840 3.355 1.00 2.15 C ATOM 214 SG CYS A 15 -11.015 11.941 4.774 1.00 2.98 S ATOM 0 H CYS A 15 -7.218 10.752 2.513 1.00 1.92 H new ATOM 0 HA CYS A 15 -8.249 12.647 4.468 1.00 1.87 H new ATOM 0 HB2 CYS A 15 -10.023 12.713 2.714 1.00 2.15 H new ATOM 0 HB3 CYS A 15 -10.134 10.964 2.750 1.00 2.15 H new ATOM 0 HG CYS A 15 -12.244 12.013 4.355 1.00 2.98 H new ATOM 220 N ALA A 16 -8.489 10.625 6.051 1.00 1.64 N ATOM 221 CA ALA A 16 -8.495 9.495 6.977 1.00 1.60 C ATOM 222 C ALA A 16 -9.315 8.322 6.428 1.00 1.40 C ATOM 223 O ALA A 16 -8.900 7.168 6.528 1.00 2.38 O ATOM 224 CB ALA A 16 -9.042 9.950 8.333 1.00 1.77 C ATOM 0 H ALA A 16 -8.662 11.520 6.508 1.00 1.64 H new ATOM 0 HA ALA A 16 -7.471 9.143 7.100 1.00 1.60 H new ATOM 0 HB1 ALA A 16 -9.047 9.108 9.025 1.00 1.77 H new ATOM 0 HB2 ALA A 16 -8.411 10.744 8.732 1.00 1.77 H new ATOM 0 HB3 ALA A 16 -10.059 10.323 8.209 1.00 1.77 H new ATOM 230 N SER A 17 -10.466 8.616 5.816 1.00 0.64 N ATOM 231 CA SER A 17 -11.267 7.630 5.112 1.00 0.50 C ATOM 232 C SER A 17 -10.405 6.852 4.114 1.00 0.47 C ATOM 233 O SER A 17 -10.332 5.632 4.180 1.00 0.61 O ATOM 234 CB SER A 17 -12.428 8.345 4.412 1.00 0.83 C ATOM 235 OG SER A 17 -12.969 9.331 5.273 1.00 1.72 O ATOM 0 H SER A 17 -10.865 9.555 5.799 1.00 0.64 H new ATOM 0 HA SER A 17 -11.672 6.907 5.820 1.00 0.50 H new ATOM 0 HB2 SER A 17 -12.080 8.807 3.488 1.00 0.83 H new ATOM 0 HB3 SER A 17 -13.199 7.625 4.138 1.00 0.83 H new ATOM 0 HG SER A 17 -12.507 10.183 5.126 1.00 1.72 H new ATOM 241 N CYS A 18 -9.733 7.554 3.201 1.00 0.46 N ATOM 242 CA CYS A 18 -8.850 6.956 2.206 1.00 0.48 C ATOM 243 C CYS A 18 -7.790 6.121 2.906 1.00 0.45 C ATOM 244 O CYS A 18 -7.643 4.946 2.582 1.00 0.49 O ATOM 245 CB CYS A 18 -8.195 8.034 1.332 1.00 0.59 C ATOM 246 SG CYS A 18 -9.397 9.121 0.530 1.00 0.77 S ATOM 0 H CYS A 18 -9.790 8.570 3.133 1.00 0.46 H new ATOM 0 HA CYS A 18 -9.441 6.314 1.553 1.00 0.48 H new ATOM 0 HB2 CYS A 18 -7.524 8.634 1.947 1.00 0.59 H new ATOM 0 HB3 CYS A 18 -7.583 7.553 0.569 1.00 0.59 H new ATOM 0 HG CYS A 18 -8.771 10.005 -0.188 1.00 0.77 H new ATOM 252 N VAL A 19 -7.089 6.702 3.884 1.00 0.55 N ATOM 253 CA VAL A 19 -6.063 6.003 4.649 1.00 0.62 C ATOM 254 C VAL A 19 -6.589 4.641 5.092 1.00 0.53 C ATOM 255 O VAL A 19 -6.070 3.598 4.685 1.00 0.48 O ATOM 256 CB VAL A 19 -5.622 6.845 5.859 1.00 0.82 C ATOM 257 CG1 VAL A 19 -4.592 6.103 6.710 1.00 0.98 C ATOM 258 CG2 VAL A 19 -5.007 8.162 5.399 1.00 0.97 C ATOM 0 H VAL A 19 -7.221 7.674 4.165 1.00 0.55 H new ATOM 0 HA VAL A 19 -5.189 5.849 4.016 1.00 0.62 H new ATOM 0 HB VAL A 19 -6.513 7.035 6.458 1.00 0.82 H new ATOM 0 HG11 VAL A 19 -4.302 6.726 7.556 1.00 0.98 H new ATOM 0 HG12 VAL A 19 -5.025 5.172 7.076 1.00 0.98 H new ATOM 0 HG13 VAL A 19 -3.713 5.881 6.105 1.00 0.98 H new ATOM 0 HG21 VAL A 19 -4.701 8.744 6.268 1.00 0.97 H new ATOM 0 HG22 VAL A 19 -4.137 7.959 4.774 1.00 0.97 H new ATOM 0 HG23 VAL A 19 -5.742 8.726 4.825 1.00 0.97 H new ATOM 268 N HIS A 20 -7.655 4.660 5.898 1.00 0.62 N ATOM 269 CA HIS A 20 -8.192 3.432 6.449 1.00 0.71 C ATOM 270 C HIS A 20 -8.744 2.526 5.336 1.00 0.62 C ATOM 271 O HIS A 20 -8.867 1.320 5.527 1.00 0.75 O ATOM 272 CB HIS A 20 -9.092 3.699 7.676 1.00 0.92 C ATOM 273 CG HIS A 20 -10.587 3.515 7.562 1.00 1.10 C ATOM 274 ND1 HIS A 20 -11.347 3.574 6.430 1.00 1.77 N flip ATOM 275 CD2 HIS A 20 -11.443 3.269 8.613 1.00 0.82 C flip ATOM 276 CE1 HIS A 20 -12.681 3.346 6.780 1.00 1.84 C flip ATOM 277 NE2 HIS A 20 -12.687 3.172 8.111 1.00 1.24 N flip ATOM 0 H HIS A 20 -8.152 5.506 6.176 1.00 0.62 H new ATOM 0 HA HIS A 20 -7.394 2.829 6.882 1.00 0.71 H new ATOM 0 HB2 HIS A 20 -8.745 3.052 8.481 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -8.914 4.726 7.993 1.00 0.92 H new ATOM 0 HD2 HIS A 20 -11.165 3.172 9.652 1.00 0.82 H new ATOM 0 HE1 HIS A 20 -13.532 3.316 6.116 1.00 1.84 H new ATOM 0 HE2 HIS A 20 -13.523 2.991 8.667 1.00 1.24 H new ATOM 285 N LYS A 21 -9.084 3.090 4.168 1.00 0.53 N ATOM 286 CA LYS A 21 -9.583 2.324 3.035 1.00 0.58 C ATOM 287 C LYS A 21 -8.472 1.430 2.520 1.00 0.60 C ATOM 288 O LYS A 21 -8.685 0.243 2.279 1.00 0.83 O ATOM 289 CB LYS A 21 -10.136 3.224 1.913 1.00 0.60 C ATOM 290 CG LYS A 21 -11.479 2.733 1.356 1.00 0.98 C ATOM 291 CD LYS A 21 -11.381 1.331 0.734 1.00 1.65 C ATOM 292 CE LYS A 21 -12.639 0.961 -0.067 1.00 2.26 C ATOM 293 NZ LYS A 21 -13.864 0.960 0.762 1.00 4.06 N ATOM 0 H LYS A 21 -9.018 4.092 3.990 1.00 0.53 H new ATOM 0 HA LYS A 21 -10.421 1.715 3.374 1.00 0.58 H new ATOM 0 HB2 LYS A 21 -10.256 4.238 2.294 1.00 0.60 H new ATOM 0 HB3 LYS A 21 -9.409 3.273 1.102 1.00 0.60 H new ATOM 0 HG2 LYS A 21 -12.218 2.721 2.157 1.00 0.98 H new ATOM 0 HG3 LYS A 21 -11.836 3.437 0.604 1.00 0.98 H new ATOM 0 HD2 LYS A 21 -10.510 1.286 0.080 1.00 1.65 H new ATOM 0 HD3 LYS A 21 -11.226 0.595 1.523 1.00 1.65 H new ATOM 0 HE2 LYS A 21 -12.762 1.666 -0.889 1.00 2.26 H new ATOM 0 HE3 LYS A 21 -12.505 -0.025 -0.511 1.00 2.26 H new ATOM 0 HZ1 LYS A 21 -14.682 0.704 0.173 1.00 4.06 H new ATOM 0 HZ2 LYS A 21 -13.762 0.268 1.532 1.00 4.06 H new ATOM 0 HZ3 LYS A 21 -14.011 1.907 1.165 1.00 4.06 H new ATOM 307 N ILE A 22 -7.290 2.017 2.351 1.00 0.39 N ATOM 308 CA ILE A 22 -6.141 1.300 1.841 1.00 0.34 C ATOM 309 C ILE A 22 -5.745 0.262 2.877 1.00 0.38 C ATOM 310 O ILE A 22 -5.681 -0.914 2.538 1.00 0.46 O ATOM 311 CB ILE A 22 -5.005 2.264 1.485 1.00 0.36 C ATOM 312 CG1 ILE A 22 -5.525 3.318 0.513 1.00 0.32 C ATOM 313 CG2 ILE A 22 -3.845 1.508 0.841 1.00 0.54 C ATOM 314 CD1 ILE A 22 -4.456 4.203 -0.108 1.00 0.72 C ATOM 0 H ILE A 22 -7.109 2.998 2.564 1.00 0.39 H new ATOM 0 HA ILE A 22 -6.383 0.788 0.910 1.00 0.34 H new ATOM 0 HB ILE A 22 -4.649 2.742 2.397 1.00 0.36 H new ATOM 0 HG12 ILE A 22 -6.069 2.816 -0.287 1.00 0.32 H new ATOM 0 HG13 ILE A 22 -6.241 3.952 1.037 1.00 0.32 H new ATOM 0 HG21 ILE A 22 -3.047 2.208 0.594 1.00 0.54 H new ATOM 0 HG22 ILE A 22 -3.468 0.758 1.537 1.00 0.54 H new ATOM 0 HG23 ILE A 22 -4.191 1.017 -0.069 1.00 0.54 H new ATOM 0 HD11 ILE A 22 -4.924 4.919 -0.783 1.00 0.72 H new ATOM 0 HD12 ILE A 22 -3.925 4.739 0.679 1.00 0.72 H new ATOM 0 HD13 ILE A 22 -3.751 3.586 -0.665 1.00 0.72 H new ATOM 326 N GLU A 23 -5.560 0.684 4.133 1.00 0.37 N ATOM 327 CA GLU A 23 -5.349 -0.217 5.263 1.00 0.40 C ATOM 328 C GLU A 23 -6.293 -1.420 5.168 1.00 0.38 C ATOM 329 O GLU A 23 -5.867 -2.550 4.942 1.00 0.44 O ATOM 330 CB GLU A 23 -5.646 0.549 6.557 1.00 0.58 C ATOM 331 CG GLU A 23 -4.612 1.613 6.930 1.00 1.54 C ATOM 332 CD GLU A 23 -3.329 0.990 7.446 1.00 1.91 C ATOM 333 OE1 GLU A 23 -3.413 0.272 8.463 1.00 2.57 O ATOM 334 OE2 GLU A 23 -2.292 1.239 6.801 1.00 3.37 O ATOM 0 H GLU A 23 -5.553 1.671 4.392 1.00 0.37 H new ATOM 0 HA GLU A 23 -4.319 -0.575 5.254 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -6.620 1.028 6.462 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -5.721 -0.166 7.376 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -4.393 2.229 6.058 1.00 1.54 H new ATOM 0 HG3 GLU A 23 -5.028 2.274 7.691 1.00 1.54 H new ATOM 341 N SER A 24 -7.592 -1.143 5.308 1.00 0.40 N ATOM 342 CA SER A 24 -8.642 -2.146 5.410 1.00 0.50 C ATOM 343 C SER A 24 -8.589 -3.075 4.201 1.00 0.46 C ATOM 344 O SER A 24 -8.579 -4.301 4.326 1.00 0.59 O ATOM 345 CB SER A 24 -10.000 -1.441 5.539 1.00 0.64 C ATOM 346 OG SER A 24 -11.057 -2.375 5.641 1.00 1.49 O ATOM 0 H SER A 24 -7.946 -0.188 5.354 1.00 0.40 H new ATOM 0 HA SER A 24 -8.496 -2.761 6.298 1.00 0.50 H new ATOM 0 HB2 SER A 24 -9.995 -0.797 6.418 1.00 0.64 H new ATOM 0 HB3 SER A 24 -10.162 -0.798 4.674 1.00 0.64 H new ATOM 0 HG SER A 24 -11.909 -1.897 5.724 1.00 1.49 H new ATOM 352 N SER A 25 -8.531 -2.477 3.010 1.00 0.42 N ATOM 353 CA SER A 25 -8.513 -3.227 1.774 1.00 0.46 C ATOM 354 C SER A 25 -7.252 -4.083 1.659 1.00 0.45 C ATOM 355 O SER A 25 -7.332 -5.184 1.125 1.00 0.66 O ATOM 356 CB SER A 25 -8.645 -2.278 0.586 1.00 0.53 C ATOM 357 OG SER A 25 -8.910 -3.029 -0.587 1.00 0.71 O ATOM 0 H SER A 25 -8.496 -1.465 2.886 1.00 0.42 H new ATOM 0 HA SER A 25 -9.364 -3.908 1.773 1.00 0.46 H new ATOM 0 HB2 SER A 25 -9.449 -1.564 0.764 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.728 -1.701 0.463 1.00 0.53 H new ATOM 0 HG SER A 25 -8.127 -3.002 -1.176 1.00 0.71 H new ATOM 363 N LEU A 26 -6.094 -3.601 2.112 1.00 0.38 N ATOM 364 CA LEU A 26 -4.861 -4.368 2.060 1.00 0.42 C ATOM 365 C LEU A 26 -4.909 -5.518 3.063 1.00 0.41 C ATOM 366 O LEU A 26 -4.467 -6.615 2.723 1.00 0.48 O ATOM 367 CB LEU A 26 -3.631 -3.485 2.295 1.00 0.50 C ATOM 368 CG LEU A 26 -2.920 -3.003 1.022 1.00 0.67 C ATOM 369 CD1 LEU A 26 -2.155 -4.150 0.352 1.00 1.88 C ATOM 370 CD2 LEU A 26 -3.851 -2.323 0.010 1.00 1.86 C ATOM 0 H LEU A 26 -5.990 -2.673 2.522 1.00 0.38 H new ATOM 0 HA LEU A 26 -4.769 -4.784 1.057 1.00 0.42 H new ATOM 0 HB2 LEU A 26 -3.935 -2.613 2.875 1.00 0.50 H new ATOM 0 HB3 LEU A 26 -2.916 -4.039 2.903 1.00 0.50 H new ATOM 0 HG LEU A 26 -2.216 -2.239 1.352 1.00 0.67 H new ATOM 0 HD11 LEU A 26 -1.661 -3.782 -0.547 1.00 1.88 H new ATOM 0 HD12 LEU A 26 -1.408 -4.541 1.042 1.00 1.88 H new ATOM 0 HD13 LEU A 26 -2.852 -4.944 0.083 1.00 1.88 H new ATOM 0 HD21 LEU A 26 -3.275 -2.011 -0.861 1.00 1.86 H new ATOM 0 HD22 LEU A 26 -4.626 -3.024 -0.299 1.00 1.86 H new ATOM 0 HD23 LEU A 26 -4.314 -1.450 0.471 1.00 1.86 H new ATOM 382 N THR A 27 -5.434 -5.283 4.273 1.00 0.46 N ATOM 383 CA THR A 27 -5.551 -6.292 5.321 1.00 0.58 C ATOM 384 C THR A 27 -6.521 -7.409 4.905 1.00 0.71 C ATOM 385 O THR A 27 -7.644 -7.489 5.394 1.00 1.78 O ATOM 386 CB THR A 27 -5.939 -5.636 6.656 1.00 0.70 C ATOM 387 OG1 THR A 27 -7.037 -4.766 6.498 1.00 0.79 O ATOM 388 CG2 THR A 27 -4.778 -4.820 7.238 1.00 0.76 C ATOM 0 H THR A 27 -5.794 -4.370 4.550 1.00 0.46 H new ATOM 0 HA THR A 27 -4.580 -6.765 5.466 1.00 0.58 H new ATOM 0 HB THR A 27 -6.199 -6.450 7.333 1.00 0.70 H new ATOM 0 HG1 THR A 27 -7.446 -4.912 5.620 1.00 0.79 H new ATOM 0 HG21 THR A 27 -5.087 -4.370 8.182 1.00 0.76 H new ATOM 0 HG22 THR A 27 -3.924 -5.475 7.410 1.00 0.76 H new ATOM 0 HG23 THR A 27 -4.497 -4.035 6.536 1.00 0.76 H new ATOM 396 N LYS A 28 -6.045 -8.266 4.001 1.00 1.02 N ATOM 397 CA LYS A 28 -6.699 -9.406 3.368 1.00 1.18 C ATOM 398 C LYS A 28 -5.735 -10.070 2.375 1.00 1.19 C ATOM 399 O LYS A 28 -5.767 -11.287 2.215 1.00 1.53 O ATOM 400 CB LYS A 28 -8.029 -9.034 2.676 1.00 1.33 C ATOM 401 CG LYS A 28 -7.874 -8.340 1.314 1.00 1.67 C ATOM 402 CD LYS A 28 -9.226 -7.799 0.825 1.00 1.51 C ATOM 403 CE LYS A 28 -9.260 -7.399 -0.664 1.00 2.04 C ATOM 404 NZ LYS A 28 -8.297 -6.336 -1.021 1.00 3.73 N ATOM 0 H LYS A 28 -5.089 -8.165 3.660 1.00 1.02 H new ATOM 0 HA LYS A 28 -6.956 -10.111 4.158 1.00 1.18 H new ATOM 0 HB2 LYS A 28 -8.618 -9.941 2.541 1.00 1.33 H new ATOM 0 HB3 LYS A 28 -8.597 -8.381 3.338 1.00 1.33 H new ATOM 0 HG2 LYS A 28 -7.157 -7.523 1.396 1.00 1.67 H new ATOM 0 HG3 LYS A 28 -7.473 -9.044 0.585 1.00 1.67 H new ATOM 0 HD2 LYS A 28 -9.990 -8.556 1.001 1.00 1.51 H new ATOM 0 HD3 LYS A 28 -9.493 -6.930 1.427 1.00 1.51 H new ATOM 0 HE2 LYS A 28 -9.055 -8.280 -1.272 1.00 2.04 H new ATOM 0 HE3 LYS A 28 -10.266 -7.064 -0.917 1.00 2.04 H new ATOM 0 HZ1 LYS A 28 -8.690 -5.755 -1.789 1.00 3.73 H new ATOM 0 HZ2 LYS A 28 -8.118 -5.737 -0.190 1.00 3.73 H new ATOM 0 HZ3 LYS A 28 -7.405 -6.767 -1.336 1.00 3.73 H new ATOM 418 N HIS A 29 -4.906 -9.274 1.678 1.00 0.96 N ATOM 419 CA HIS A 29 -3.971 -9.775 0.681 1.00 1.17 C ATOM 420 C HIS A 29 -3.090 -10.878 1.273 1.00 1.26 C ATOM 421 O HIS A 29 -2.368 -10.650 2.245 1.00 1.93 O ATOM 422 CB HIS A 29 -3.153 -8.609 0.104 1.00 1.30 C ATOM 423 CG HIS A 29 -3.960 -7.803 -0.881 1.00 0.92 C ATOM 424 ND1 HIS A 29 -3.923 -7.942 -2.246 1.00 1.40 N ATOM 425 CD2 HIS A 29 -5.063 -7.051 -0.590 1.00 0.70 C ATOM 426 CE1 HIS A 29 -4.987 -7.308 -2.758 1.00 1.78 C ATOM 427 NE2 HIS A 29 -5.734 -6.763 -1.780 1.00 1.48 N ATOM 0 H HIS A 29 -4.873 -8.262 1.798 1.00 0.96 H new ATOM 0 HA HIS A 29 -4.522 -10.228 -0.143 1.00 1.17 H new ATOM 0 HB2 HIS A 29 -2.816 -7.963 0.915 1.00 1.30 H new ATOM 0 HB3 HIS A 29 -2.260 -8.997 -0.386 1.00 1.30 H new ATOM 0 HD1 HIS A 29 -3.210 -8.441 -2.778 1.00 1.40 H new ATOM 0 HD2 HIS A 29 -5.366 -6.732 0.397 1.00 0.70 H new ATOM 0 HE1 HIS A 29 -5.214 -7.243 -3.812 1.00 1.78 H new ATOM 435 N ARG A 30 -3.184 -12.084 0.701 1.00 1.54 N ATOM 436 CA ARG A 30 -2.562 -13.294 1.219 1.00 1.65 C ATOM 437 C ARG A 30 -1.039 -13.191 1.119 1.00 1.76 C ATOM 438 O ARG A 30 -0.426 -13.700 0.185 1.00 3.12 O ATOM 439 CB ARG A 30 -3.129 -14.517 0.481 1.00 1.98 C ATOM 440 CG ARG A 30 -2.616 -15.835 1.082 1.00 2.85 C ATOM 441 CD ARG A 30 -3.311 -17.047 0.445 1.00 3.25 C ATOM 442 NE ARG A 30 -4.755 -17.084 0.741 1.00 3.34 N ATOM 443 CZ ARG A 30 -5.303 -17.479 1.903 1.00 3.85 C ATOM 444 NH1 ARG A 30 -4.519 -17.872 2.912 1.00 4.30 N ATOM 445 NH2 ARG A 30 -6.633 -17.478 2.051 1.00 5.06 N ATOM 0 H ARG A 30 -3.711 -12.243 -0.158 1.00 1.54 H new ATOM 0 HA ARG A 30 -2.796 -13.415 2.277 1.00 1.65 H new ATOM 0 HB2 ARG A 30 -4.218 -14.496 0.527 1.00 1.98 H new ATOM 0 HB3 ARG A 30 -2.853 -14.466 -0.572 1.00 1.98 H new ATOM 0 HG2 ARG A 30 -1.539 -15.911 0.932 1.00 2.85 H new ATOM 0 HG3 ARG A 30 -2.789 -15.838 2.158 1.00 2.85 H new ATOM 0 HD2 ARG A 30 -3.164 -17.021 -0.635 1.00 3.25 H new ATOM 0 HD3 ARG A 30 -2.844 -17.963 0.808 1.00 3.25 H new ATOM 0 HE ARG A 30 -5.391 -16.785 0.002 1.00 3.34 H new ATOM 0 HH11 ARG A 30 -3.505 -17.872 2.800 1.00 4.30 H new ATOM 0 HH12 ARG A 30 -4.935 -18.172 3.794 1.00 4.30 H new ATOM 0 HH21 ARG A 30 -7.232 -17.177 1.282 1.00 5.06 H new ATOM 0 HH22 ARG A 30 -7.048 -17.778 2.933 1.00 5.06 H new ATOM 459 N GLY A 31 -0.445 -12.519 2.102 1.00 0.81 N ATOM 460 CA GLY A 31 0.972 -12.217 2.141 1.00 0.91 C ATOM 461 C GLY A 31 1.248 -11.016 3.037 1.00 0.83 C ATOM 462 O GLY A 31 2.329 -10.923 3.612 1.00 1.23 O ATOM 0 H GLY A 31 -0.954 -12.163 2.911 1.00 0.81 H new ATOM 0 HA2 GLY A 31 1.522 -13.083 2.508 1.00 0.91 H new ATOM 0 HA3 GLY A 31 1.332 -12.014 1.133 1.00 0.91 H new ATOM 466 N ILE A 32 0.286 -10.094 3.149 1.00 0.74 N ATOM 467 CA ILE A 32 0.348 -8.942 4.023 1.00 0.65 C ATOM 468 C ILE A 32 0.385 -9.416 5.483 1.00 0.83 C ATOM 469 O ILE A 32 -0.325 -10.350 5.851 1.00 1.31 O ATOM 470 CB ILE A 32 -0.845 -8.020 3.685 1.00 0.86 C ATOM 471 CG1 ILE A 32 -0.509 -6.528 3.574 1.00 0.69 C ATOM 472 CG2 ILE A 32 -2.011 -8.220 4.644 1.00 1.86 C ATOM 473 CD1 ILE A 32 0.093 -5.948 4.845 1.00 1.56 C ATOM 0 H ILE A 32 -0.580 -10.140 2.612 1.00 0.74 H new ATOM 0 HA ILE A 32 1.257 -8.358 3.876 1.00 0.65 H new ATOM 0 HB ILE A 32 -1.136 -8.336 2.683 1.00 0.86 H new ATOM 0 HG12 ILE A 32 0.189 -6.381 2.750 1.00 0.69 H new ATOM 0 HG13 ILE A 32 -1.416 -5.976 3.326 1.00 0.69 H new ATOM 0 HG21 ILE A 32 -2.827 -7.552 4.369 1.00 1.86 H new ATOM 0 HG22 ILE A 32 -2.354 -9.253 4.589 1.00 1.86 H new ATOM 0 HG23 ILE A 32 -1.688 -7.998 5.661 1.00 1.86 H new ATOM 0 HD11 ILE A 32 0.306 -4.889 4.696 1.00 1.56 H new ATOM 0 HD12 ILE A 32 -0.613 -6.064 5.668 1.00 1.56 H new ATOM 0 HD13 ILE A 32 1.017 -6.474 5.083 1.00 1.56 H new ATOM 485 N LEU A 33 1.197 -8.754 6.307 1.00 0.72 N ATOM 486 CA LEU A 33 1.214 -8.884 7.756 1.00 0.94 C ATOM 487 C LEU A 33 0.770 -7.566 8.398 1.00 0.86 C ATOM 488 O LEU A 33 -0.068 -7.585 9.296 1.00 0.99 O ATOM 489 CB LEU A 33 2.614 -9.282 8.248 1.00 1.20 C ATOM 490 CG LEU A 33 3.137 -10.602 7.655 1.00 1.69 C ATOM 491 CD1 LEU A 33 4.527 -10.879 8.233 1.00 2.26 C ATOM 492 CD2 LEU A 33 2.226 -11.793 7.976 1.00 3.00 C ATOM 0 H LEU A 33 1.888 -8.086 5.965 1.00 0.72 H new ATOM 0 HA LEU A 33 0.519 -9.671 8.048 1.00 0.94 H new ATOM 0 HB2 LEU A 33 3.314 -8.483 8.003 1.00 1.20 H new ATOM 0 HB3 LEU A 33 2.595 -9.367 9.335 1.00 1.20 H new ATOM 0 HG LEU A 33 3.166 -10.491 6.571 1.00 1.69 H new ATOM 0 HD11 LEU A 33 4.912 -11.812 7.822 1.00 2.26 H new ATOM 0 HD12 LEU A 33 5.199 -10.062 7.971 1.00 2.26 H new ATOM 0 HD13 LEU A 33 4.460 -10.960 9.318 1.00 2.26 H new ATOM 0 HD21 LEU A 33 2.642 -12.699 7.534 1.00 3.00 H new ATOM 0 HD22 LEU A 33 2.155 -11.916 9.057 1.00 3.00 H new ATOM 0 HD23 LEU A 33 1.232 -11.612 7.566 1.00 3.00 H new ATOM 504 N TYR A 34 1.321 -6.426 7.957 1.00 0.74 N ATOM 505 CA TYR A 34 0.998 -5.119 8.532 1.00 0.73 C ATOM 506 C TYR A 34 0.962 -4.039 7.449 1.00 0.62 C ATOM 507 O TYR A 34 1.825 -4.023 6.574 1.00 0.68 O ATOM 508 CB TYR A 34 2.024 -4.774 9.622 1.00 0.80 C ATOM 509 CG TYR A 34 1.794 -3.441 10.311 1.00 0.86 C ATOM 510 CD1 TYR A 34 0.610 -3.215 11.038 1.00 1.67 C ATOM 511 CD2 TYR A 34 2.733 -2.401 10.170 1.00 2.47 C ATOM 512 CE1 TYR A 34 0.328 -1.934 11.544 1.00 1.64 C ATOM 513 CE2 TYR A 34 2.471 -1.133 10.714 1.00 2.56 C ATOM 514 CZ TYR A 34 1.234 -0.881 11.331 1.00 1.06 C ATOM 515 OH TYR A 34 0.885 0.404 11.631 1.00 1.22 O ATOM 0 H TYR A 34 1.999 -6.387 7.196 1.00 0.74 H new ATOM 0 HA TYR A 34 0.006 -5.162 8.981 1.00 0.73 H new ATOM 0 HB2 TYR A 34 2.014 -5.563 10.374 1.00 0.80 H new ATOM 0 HB3 TYR A 34 3.019 -4.771 9.177 1.00 0.80 H new ATOM 0 HD1 TYR A 34 -0.082 -4.026 11.207 1.00 1.67 H new ATOM 0 HD2 TYR A 34 3.658 -2.579 9.642 1.00 2.47 H new ATOM 0 HE1 TYR A 34 -0.584 -1.759 12.096 1.00 1.64 H new ATOM 0 HE2 TYR A 34 3.218 -0.355 10.658 1.00 2.56 H new ATOM 0 HH TYR A 34 1.151 0.995 10.896 1.00 1.22 H new ATOM 525 N CYS A 35 -0.021 -3.137 7.514 1.00 0.65 N ATOM 526 CA CYS A 35 -0.129 -1.966 6.646 1.00 0.61 C ATOM 527 C CYS A 35 0.256 -0.748 7.466 1.00 0.66 C ATOM 528 O CYS A 35 0.141 -0.772 8.689 1.00 1.08 O ATOM 529 CB CYS A 35 -1.568 -1.741 6.161 1.00 0.95 C ATOM 530 SG CYS A 35 -2.222 -3.172 5.295 1.00 2.13 S ATOM 0 H CYS A 35 -0.782 -3.205 8.190 1.00 0.65 H new ATOM 0 HA CYS A 35 0.516 -2.122 5.781 1.00 0.61 H new ATOM 0 HB2 CYS A 35 -2.206 -1.512 7.015 1.00 0.95 H new ATOM 0 HB3 CYS A 35 -1.596 -0.874 5.501 1.00 0.95 H new ATOM 0 HG CYS A 35 -2.218 -4.200 6.091 1.00 2.13 H new ATOM 536 N SER A 36 0.685 0.324 6.809 1.00 0.46 N ATOM 537 CA SER A 36 0.718 1.629 7.449 1.00 0.62 C ATOM 538 C SER A 36 0.638 2.709 6.373 1.00 0.48 C ATOM 539 O SER A 36 1.650 3.102 5.786 1.00 0.63 O ATOM 540 CB SER A 36 1.955 1.755 8.352 1.00 0.92 C ATOM 541 OG SER A 36 1.620 2.250 9.635 1.00 1.35 O ATOM 0 H SER A 36 1.011 0.314 5.843 1.00 0.46 H new ATOM 0 HA SER A 36 -0.142 1.757 8.106 1.00 0.62 H new ATOM 0 HB2 SER A 36 2.433 0.781 8.452 1.00 0.92 H new ATOM 0 HB3 SER A 36 2.681 2.420 7.884 1.00 0.92 H new ATOM 0 HG SER A 36 2.430 2.315 10.182 1.00 1.35 H new ATOM 547 N VAL A 37 -0.581 3.151 6.081 1.00 0.40 N ATOM 548 CA VAL A 37 -0.892 4.213 5.157 1.00 0.45 C ATOM 549 C VAL A 37 -0.968 5.542 5.910 1.00 0.46 C ATOM 550 O VAL A 37 -1.419 5.584 7.054 1.00 0.59 O ATOM 551 CB VAL A 37 -2.209 3.828 4.470 1.00 0.77 C ATOM 552 CG1 VAL A 37 -2.599 4.845 3.401 1.00 1.90 C ATOM 553 CG2 VAL A 37 -2.138 2.437 3.812 1.00 2.39 C ATOM 0 H VAL A 37 -1.415 2.751 6.510 1.00 0.40 H new ATOM 0 HA VAL A 37 -0.123 4.345 4.396 1.00 0.45 H new ATOM 0 HB VAL A 37 -2.961 3.811 5.258 1.00 0.77 H new ATOM 0 HG11 VAL A 37 -3.536 4.541 2.935 1.00 1.90 H new ATOM 0 HG12 VAL A 37 -2.723 5.826 3.860 1.00 1.90 H new ATOM 0 HG13 VAL A 37 -1.817 4.895 2.644 1.00 1.90 H new ATOM 0 HG21 VAL A 37 -3.093 2.209 3.339 1.00 2.39 H new ATOM 0 HG22 VAL A 37 -1.350 2.430 3.059 1.00 2.39 H new ATOM 0 HG23 VAL A 37 -1.921 1.686 4.571 1.00 2.39 H new ATOM 563 N ALA A 38 -0.540 6.641 5.278 1.00 0.57 N ATOM 564 CA ALA A 38 -0.712 7.973 5.839 1.00 0.67 C ATOM 565 C ALA A 38 -0.707 9.042 4.755 1.00 0.58 C ATOM 566 O ALA A 38 0.171 9.064 3.891 1.00 0.48 O ATOM 567 CB ALA A 38 0.385 8.295 6.845 1.00 0.80 C ATOM 0 H ALA A 38 -0.070 6.626 4.373 1.00 0.57 H new ATOM 0 HA ALA A 38 -1.679 7.975 6.341 1.00 0.67 H new ATOM 0 HB1 ALA A 38 0.228 9.296 7.246 1.00 0.80 H new ATOM 0 HB2 ALA A 38 0.357 7.570 7.658 1.00 0.80 H new ATOM 0 HB3 ALA A 38 1.356 8.249 6.352 1.00 0.80 H new ATOM 573 N LEU A 39 -1.665 9.966 4.855 1.00 0.68 N ATOM 574 CA LEU A 39 -1.828 11.069 3.919 1.00 0.67 C ATOM 575 C LEU A 39 -0.758 12.137 4.127 1.00 0.63 C ATOM 576 O LEU A 39 -0.321 12.751 3.162 1.00 0.72 O ATOM 577 CB LEU A 39 -3.263 11.621 3.965 1.00 0.95 C ATOM 578 CG LEU A 39 -3.647 12.369 5.255 1.00 0.85 C ATOM 579 CD1 LEU A 39 -3.380 13.877 5.135 1.00 1.44 C ATOM 580 CD2 LEU A 39 -5.145 12.180 5.521 1.00 1.29 C ATOM 0 H LEU A 39 -2.359 9.964 5.603 1.00 0.68 H new ATOM 0 HA LEU A 39 -1.678 10.693 2.907 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -3.401 12.296 3.120 1.00 0.95 H new ATOM 0 HB3 LEU A 39 -3.957 10.792 3.827 1.00 0.95 H new ATOM 0 HG LEU A 39 -3.042 11.962 6.065 1.00 0.85 H new ATOM 0 HD11 LEU A 39 -3.663 14.372 6.064 1.00 1.44 H new ATOM 0 HD12 LEU A 39 -2.320 14.045 4.943 1.00 1.44 H new ATOM 0 HD13 LEU A 39 -3.967 14.286 4.313 1.00 1.44 H new ATOM 0 HD21 LEU A 39 -5.422 12.708 6.434 1.00 1.29 H new ATOM 0 HD22 LEU A 39 -5.717 12.579 4.683 1.00 1.29 H new ATOM 0 HD23 LEU A 39 -5.363 11.118 5.636 1.00 1.29 H new ATOM 592 N ALA A 40 -0.266 12.314 5.360 1.00 0.75 N ATOM 593 CA ALA A 40 0.715 13.345 5.679 1.00 0.95 C ATOM 594 C ALA A 40 1.997 13.140 4.872 1.00 0.90 C ATOM 595 O ALA A 40 2.701 14.095 4.560 1.00 1.28 O ATOM 596 CB ALA A 40 1.008 13.324 7.181 1.00 1.22 C ATOM 0 H ALA A 40 -0.540 11.744 6.160 1.00 0.75 H new ATOM 0 HA ALA A 40 0.307 14.320 5.411 1.00 0.95 H new ATOM 0 HB1 ALA A 40 1.741 14.094 7.419 1.00 1.22 H new ATOM 0 HB2 ALA A 40 0.088 13.515 7.734 1.00 1.22 H new ATOM 0 HB3 ALA A 40 1.404 12.348 7.461 1.00 1.22 H new ATOM 602 N THR A 41 2.288 11.878 4.544 1.00 0.74 N ATOM 603 CA THR A 41 3.412 11.475 3.721 1.00 0.75 C ATOM 604 C THR A 41 2.928 10.839 2.408 1.00 0.70 C ATOM 605 O THR A 41 3.753 10.342 1.642 1.00 0.83 O ATOM 606 CB THR A 41 4.301 10.563 4.578 1.00 0.83 C ATOM 607 OG1 THR A 41 5.383 10.038 3.830 1.00 2.26 O ATOM 608 CG2 THR A 41 3.521 9.434 5.262 1.00 1.92 C ATOM 0 H THR A 41 1.724 11.089 4.859 1.00 0.74 H new ATOM 0 HA THR A 41 4.010 12.329 3.403 1.00 0.75 H new ATOM 0 HB THR A 41 4.701 11.197 5.369 1.00 0.83 H new ATOM 0 HG1 THR A 41 5.185 10.111 2.873 1.00 2.26 H new ATOM 0 HG21 THR A 41 4.205 8.825 5.853 1.00 1.92 H new ATOM 0 HG22 THR A 41 2.760 9.861 5.915 1.00 1.92 H new ATOM 0 HG23 THR A 41 3.042 8.812 4.505 1.00 1.92 H new ATOM 616 N ASN A 42 1.612 10.858 2.160 1.00 0.63 N ATOM 617 CA ASN A 42 0.930 10.414 0.952 1.00 0.67 C ATOM 618 C ASN A 42 1.440 9.066 0.458 1.00 0.71 C ATOM 619 O ASN A 42 1.659 8.872 -0.737 1.00 0.87 O ATOM 620 CB ASN A 42 0.925 11.535 -0.109 1.00 0.89 C ATOM 621 CG ASN A 42 -0.503 11.985 -0.395 1.00 1.89 C ATOM 622 OD1 ASN A 42 -0.882 13.109 -0.086 1.00 2.89 O ATOM 623 ND2 ASN A 42 -1.323 11.105 -0.956 1.00 3.14 N ATOM 0 H ASN A 42 0.954 11.212 2.854 1.00 0.63 H new ATOM 0 HA ASN A 42 -0.116 10.223 1.190 1.00 0.67 H new ATOM 0 HB2 ASN A 42 1.517 12.380 0.242 1.00 0.89 H new ATOM 0 HB3 ASN A 42 1.392 11.179 -1.027 1.00 0.89 H new ATOM 0 HD21 ASN A 42 -2.294 11.358 -1.140 1.00 3.14 H new ATOM 0 HD22 ASN A 42 -0.982 10.176 -1.204 1.00 3.14 H new ATOM 630 N LYS A 43 1.593 8.115 1.384 1.00 0.76 N ATOM 631 CA LYS A 43 2.109 6.795 1.061 1.00 1.03 C ATOM 632 C LYS A 43 1.363 5.690 1.788 1.00 0.79 C ATOM 633 O LYS A 43 0.721 5.934 2.810 1.00 0.75 O ATOM 634 CB LYS A 43 3.622 6.711 1.327 1.00 1.44 C ATOM 635 CG LYS A 43 3.992 6.980 2.789 1.00 1.54 C ATOM 636 CD LYS A 43 5.408 6.504 3.148 1.00 1.15 C ATOM 637 CE LYS A 43 6.471 7.169 2.261 1.00 1.14 C ATOM 638 NZ LYS A 43 7.831 6.996 2.813 1.00 1.35 N ATOM 0 H LYS A 43 1.363 8.243 2.369 1.00 0.76 H new ATOM 0 HA LYS A 43 1.942 6.641 -0.005 1.00 1.03 H new ATOM 0 HB2 LYS A 43 3.980 5.721 1.044 1.00 1.44 H new ATOM 0 HB3 LYS A 43 4.137 7.430 0.690 1.00 1.44 H new ATOM 0 HG2 LYS A 43 3.913 8.049 2.987 1.00 1.54 H new ATOM 0 HG3 LYS A 43 3.272 6.482 3.438 1.00 1.54 H new ATOM 0 HD2 LYS A 43 5.614 6.730 4.194 1.00 1.15 H new ATOM 0 HD3 LYS A 43 5.467 5.421 3.038 1.00 1.15 H new ATOM 0 HE2 LYS A 43 6.428 6.742 1.259 1.00 1.14 H new ATOM 0 HE3 LYS A 43 6.250 8.232 2.164 1.00 1.14 H new ATOM 0 HZ1 LYS A 43 8.521 6.974 2.035 1.00 1.35 H new ATOM 0 HZ2 LYS A 43 8.051 7.789 3.449 1.00 1.35 H new ATOM 0 HZ3 LYS A 43 7.879 6.103 3.344 1.00 1.35 H new ATOM 652 N ALA A 44 1.518 4.477 1.256 1.00 0.74 N ATOM 653 CA ALA A 44 1.282 3.220 1.933 1.00 0.60 C ATOM 654 C ALA A 44 2.640 2.564 2.131 1.00 0.50 C ATOM 655 O ALA A 44 3.356 2.371 1.146 1.00 0.57 O ATOM 656 CB ALA A 44 0.366 2.332 1.087 1.00 0.73 C ATOM 0 H ALA A 44 1.827 4.348 0.293 1.00 0.74 H new ATOM 0 HA ALA A 44 0.789 3.374 2.893 1.00 0.60 H new ATOM 0 HB1 ALA A 44 0.194 1.388 1.605 1.00 0.73 H new ATOM 0 HB2 ALA A 44 -0.587 2.838 0.929 1.00 0.73 H new ATOM 0 HB3 ALA A 44 0.837 2.137 0.124 1.00 0.73 H new ATOM 662 N HIS A 45 2.995 2.213 3.374 1.00 0.49 N ATOM 663 CA HIS A 45 3.937 1.124 3.567 1.00 0.54 C ATOM 664 C HIS A 45 3.143 -0.163 3.732 1.00 0.47 C ATOM 665 O HIS A 45 2.106 -0.173 4.401 1.00 0.48 O ATOM 666 CB HIS A 45 4.985 1.392 4.658 1.00 0.71 C ATOM 667 CG HIS A 45 4.706 0.959 6.075 1.00 0.66 C ATOM 668 ND1 HIS A 45 5.126 1.665 7.180 1.00 0.96 N ATOM 669 CD2 HIS A 45 4.482 -0.332 6.487 1.00 0.67 C ATOM 670 CE1 HIS A 45 5.120 0.830 8.231 1.00 1.08 C ATOM 671 NE2 HIS A 45 4.736 -0.401 7.860 1.00 0.89 N ATOM 0 H HIS A 45 2.654 2.654 4.228 1.00 0.49 H new ATOM 0 HA HIS A 45 4.567 1.023 2.683 1.00 0.54 H new ATOM 0 HB2 HIS A 45 5.912 0.912 4.346 1.00 0.71 H new ATOM 0 HB3 HIS A 45 5.172 2.466 4.675 1.00 0.71 H new ATOM 0 HD1 HIS A 45 5.394 2.649 7.197 1.00 0.96 H new ATOM 0 HD2 HIS A 45 4.165 -1.152 5.859 1.00 0.67 H new ATOM 0 HE1 HIS A 45 5.388 1.111 9.239 1.00 1.08 H new ATOM 679 N ILE A 46 3.639 -1.234 3.116 1.00 0.46 N ATOM 680 CA ILE A 46 3.098 -2.569 3.240 1.00 0.40 C ATOM 681 C ILE A 46 4.228 -3.462 3.743 1.00 0.44 C ATOM 682 O ILE A 46 5.297 -3.508 3.134 1.00 0.54 O ATOM 683 CB ILE A 46 2.556 -3.076 1.892 1.00 0.46 C ATOM 684 CG1 ILE A 46 1.586 -2.100 1.206 1.00 0.58 C ATOM 685 CG2 ILE A 46 1.787 -4.376 2.139 1.00 0.67 C ATOM 686 CD1 ILE A 46 2.288 -1.101 0.281 1.00 1.01 C ATOM 0 H ILE A 46 4.452 -1.186 2.501 1.00 0.46 H new ATOM 0 HA ILE A 46 2.259 -2.578 3.935 1.00 0.40 H new ATOM 0 HB ILE A 46 3.419 -3.203 1.239 1.00 0.46 H new ATOM 0 HG12 ILE A 46 0.856 -2.668 0.629 1.00 0.58 H new ATOM 0 HG13 ILE A 46 1.032 -1.552 1.969 1.00 0.58 H new ATOM 0 HG21 ILE A 46 1.394 -4.752 1.194 1.00 0.67 H new ATOM 0 HG22 ILE A 46 2.457 -5.118 2.574 1.00 0.67 H new ATOM 0 HG23 ILE A 46 0.961 -4.186 2.825 1.00 0.67 H new ATOM 0 HD11 ILE A 46 1.547 -0.442 -0.171 1.00 1.01 H new ATOM 0 HD12 ILE A 46 2.998 -0.508 0.858 1.00 1.01 H new ATOM 0 HD13 ILE A 46 2.819 -1.642 -0.502 1.00 1.01 H new ATOM 698 N LYS A 47 3.974 -4.169 4.842 1.00 0.45 N ATOM 699 CA LYS A 47 4.792 -5.260 5.338 1.00 0.52 C ATOM 700 C LYS A 47 4.109 -6.566 4.963 1.00 0.52 C ATOM 701 O LYS A 47 3.303 -7.088 5.731 1.00 0.92 O ATOM 702 CB LYS A 47 4.961 -5.177 6.852 1.00 0.68 C ATOM 703 CG LYS A 47 5.507 -3.821 7.294 1.00 0.79 C ATOM 704 CD LYS A 47 6.347 -4.060 8.547 1.00 1.07 C ATOM 705 CE LYS A 47 6.897 -2.733 9.085 1.00 1.44 C ATOM 706 NZ LYS A 47 7.807 -2.933 10.231 1.00 2.25 N ATOM 0 H LYS A 47 3.161 -3.986 5.430 1.00 0.45 H new ATOM 0 HA LYS A 47 5.785 -5.202 4.893 1.00 0.52 H new ATOM 0 HB2 LYS A 47 4.000 -5.355 7.334 1.00 0.68 H new ATOM 0 HB3 LYS A 47 5.636 -5.965 7.185 1.00 0.68 H new ATOM 0 HG2 LYS A 47 6.112 -3.374 6.505 1.00 0.79 H new ATOM 0 HG3 LYS A 47 4.692 -3.128 7.503 1.00 0.79 H new ATOM 0 HD2 LYS A 47 5.741 -4.546 9.311 1.00 1.07 H new ATOM 0 HD3 LYS A 47 7.171 -4.735 8.317 1.00 1.07 H new ATOM 0 HE2 LYS A 47 7.427 -2.211 8.288 1.00 1.44 H new ATOM 0 HE3 LYS A 47 6.068 -2.094 9.388 1.00 1.44 H new ATOM 0 HZ1 LYS A 47 8.155 -2.011 10.563 1.00 2.25 H new ATOM 0 HZ2 LYS A 47 7.295 -3.408 11.002 1.00 2.25 H new ATOM 0 HZ3 LYS A 47 8.612 -3.521 9.936 1.00 2.25 H new ATOM 720 N TYR A 48 4.418 -7.057 3.768 1.00 0.56 N ATOM 721 CA TYR A 48 3.947 -8.292 3.184 1.00 0.50 C ATOM 722 C TYR A 48 5.143 -9.144 2.760 1.00 0.54 C ATOM 723 O TYR A 48 6.206 -8.582 2.504 1.00 0.72 O ATOM 724 CB TYR A 48 3.063 -7.970 1.966 1.00 0.55 C ATOM 725 CG TYR A 48 3.767 -7.388 0.748 1.00 0.64 C ATOM 726 CD1 TYR A 48 4.420 -6.142 0.801 1.00 1.85 C ATOM 727 CD2 TYR A 48 3.689 -8.063 -0.483 1.00 2.03 C ATOM 728 CE1 TYR A 48 5.057 -5.627 -0.337 1.00 1.89 C ATOM 729 CE2 TYR A 48 4.209 -7.482 -1.652 1.00 2.22 C ATOM 730 CZ TYR A 48 4.925 -6.278 -1.573 1.00 1.18 C ATOM 731 OH TYR A 48 5.474 -5.728 -2.693 1.00 1.56 O ATOM 0 H TYR A 48 5.051 -6.560 3.142 1.00 0.56 H new ATOM 0 HA TYR A 48 3.360 -8.849 3.915 1.00 0.50 H new ATOM 0 HB2 TYR A 48 2.556 -8.886 1.661 1.00 0.55 H new ATOM 0 HB3 TYR A 48 2.291 -7.268 2.281 1.00 0.55 H new ATOM 0 HD1 TYR A 48 4.430 -5.580 1.723 1.00 1.85 H new ATOM 0 HD2 TYR A 48 3.225 -9.037 -0.530 1.00 2.03 H new ATOM 0 HE1 TYR A 48 5.650 -4.728 -0.262 1.00 1.89 H new ATOM 0 HE2 TYR A 48 4.058 -7.961 -2.608 1.00 2.22 H new ATOM 0 HH TYR A 48 5.292 -6.305 -3.464 1.00 1.56 H new ATOM 741 N ASP A 49 4.977 -10.468 2.636 1.00 0.68 N ATOM 742 CA ASP A 49 5.987 -11.298 1.993 1.00 0.72 C ATOM 743 C ASP A 49 5.904 -10.981 0.499 1.00 0.77 C ATOM 744 O ASP A 49 4.826 -11.146 -0.072 1.00 0.95 O ATOM 745 CB ASP A 49 5.695 -12.786 2.231 1.00 0.83 C ATOM 746 CG ASP A 49 6.216 -13.292 3.556 1.00 2.02 C ATOM 747 OD1 ASP A 49 7.393 -13.706 3.631 1.00 2.92 O ATOM 748 OD2 ASP A 49 5.458 -13.300 4.552 1.00 3.18 O ATOM 0 H ASP A 49 4.159 -10.977 2.971 1.00 0.68 H new ATOM 0 HA ASP A 49 6.979 -11.094 2.395 1.00 0.72 H new ATOM 0 HB2 ASP A 49 4.618 -12.950 2.185 1.00 0.83 H new ATOM 0 HB3 ASP A 49 6.141 -13.370 1.426 1.00 0.83 H new ATOM 753 N PRO A 50 6.972 -10.494 -0.149 1.00 0.76 N ATOM 754 CA PRO A 50 6.868 -9.980 -1.502 1.00 0.97 C ATOM 755 C PRO A 50 6.585 -11.070 -2.537 1.00 1.17 C ATOM 756 O PRO A 50 5.519 -11.073 -3.152 1.00 1.79 O ATOM 757 CB PRO A 50 8.168 -9.207 -1.761 1.00 0.99 C ATOM 758 CG PRO A 50 9.160 -9.782 -0.747 1.00 0.91 C ATOM 759 CD PRO A 50 8.271 -10.187 0.429 1.00 0.80 C ATOM 0 HA PRO A 50 6.007 -9.319 -1.604 1.00 0.97 H new ATOM 0 HB2 PRO A 50 8.518 -9.349 -2.784 1.00 0.99 H new ATOM 0 HB3 PRO A 50 8.029 -8.136 -1.617 1.00 0.99 H new ATOM 0 HG2 PRO A 50 9.701 -10.636 -1.154 1.00 0.91 H new ATOM 0 HG3 PRO A 50 9.906 -9.044 -0.451 1.00 0.91 H new ATOM 0 HD2 PRO A 50 8.682 -11.051 0.951 1.00 0.80 H new ATOM 0 HD3 PRO A 50 8.195 -9.381 1.158 1.00 0.80 H new ATOM 767 N GLU A 51 7.555 -11.962 -2.759 1.00 1.45 N ATOM 768 CA GLU A 51 7.656 -12.787 -3.958 1.00 2.03 C ATOM 769 C GLU A 51 6.369 -13.557 -4.251 1.00 1.96 C ATOM 770 O GLU A 51 5.949 -13.669 -5.400 1.00 2.72 O ATOM 771 CB GLU A 51 8.834 -13.758 -3.815 1.00 2.50 C ATOM 772 CG GLU A 51 10.166 -13.038 -3.568 1.00 3.22 C ATOM 773 CD GLU A 51 11.335 -14.008 -3.686 1.00 3.78 C ATOM 774 OE1 GLU A 51 11.222 -15.098 -3.087 1.00 3.32 O ATOM 775 OE2 GLU A 51 12.306 -13.643 -4.382 1.00 5.30 O ATOM 0 H GLU A 51 8.308 -12.132 -2.092 1.00 1.45 H new ATOM 0 HA GLU A 51 7.823 -12.119 -4.803 1.00 2.03 H new ATOM 0 HB2 GLU A 51 8.637 -14.443 -2.990 1.00 2.50 H new ATOM 0 HB3 GLU A 51 8.914 -14.362 -4.719 1.00 2.50 H new ATOM 0 HG2 GLU A 51 10.286 -12.228 -4.287 1.00 3.22 H new ATOM 0 HG3 GLU A 51 10.162 -12.586 -2.576 1.00 3.22 H new ATOM 782 N ILE A 52 5.757 -14.089 -3.194 1.00 1.34 N ATOM 783 CA ILE A 52 4.535 -14.875 -3.271 1.00 1.29 C ATOM 784 C ILE A 52 3.416 -14.174 -4.050 1.00 1.20 C ATOM 785 O ILE A 52 2.677 -14.825 -4.785 1.00 1.21 O ATOM 786 CB ILE A 52 4.058 -15.253 -1.858 1.00 1.33 C ATOM 787 CG1 ILE A 52 4.059 -14.096 -0.853 1.00 1.36 C ATOM 788 CG2 ILE A 52 4.871 -16.443 -1.329 1.00 1.50 C ATOM 789 CD1 ILE A 52 3.227 -14.453 0.379 1.00 1.38 C ATOM 0 H ILE A 52 6.107 -13.981 -2.242 1.00 1.34 H new ATOM 0 HA ILE A 52 4.776 -15.780 -3.829 1.00 1.29 H new ATOM 0 HB ILE A 52 3.010 -15.534 -1.960 1.00 1.33 H new ATOM 0 HG12 ILE A 52 5.082 -13.868 -0.554 1.00 1.36 H new ATOM 0 HG13 ILE A 52 3.656 -13.199 -1.323 1.00 1.36 H new ATOM 0 HG21 ILE A 52 4.526 -16.703 -0.328 1.00 1.50 H new ATOM 0 HG22 ILE A 52 4.738 -17.298 -1.992 1.00 1.50 H new ATOM 0 HG23 ILE A 52 5.927 -16.174 -1.290 1.00 1.50 H new ATOM 0 HD11 ILE A 52 3.240 -13.619 1.081 1.00 1.38 H new ATOM 0 HD12 ILE A 52 2.200 -14.658 0.077 1.00 1.38 H new ATOM 0 HD13 ILE A 52 3.647 -15.337 0.858 1.00 1.38 H new ATOM 801 N ILE A 53 3.260 -12.867 -3.835 1.00 1.39 N ATOM 802 CA ILE A 53 2.102 -12.090 -4.273 1.00 1.18 C ATOM 803 C ILE A 53 2.515 -10.965 -5.225 1.00 1.07 C ATOM 804 O ILE A 53 1.957 -10.803 -6.309 1.00 1.19 O ATOM 805 CB ILE A 53 1.330 -11.612 -3.029 1.00 1.07 C ATOM 806 CG1 ILE A 53 0.043 -10.888 -3.431 1.00 1.01 C ATOM 807 CG2 ILE A 53 2.134 -10.696 -2.104 1.00 1.04 C ATOM 808 CD1 ILE A 53 -0.983 -10.920 -2.293 1.00 1.37 C ATOM 0 H ILE A 53 3.953 -12.307 -3.339 1.00 1.39 H new ATOM 0 HA ILE A 53 1.425 -12.711 -4.859 1.00 1.18 H new ATOM 0 HB ILE A 53 1.108 -12.522 -2.472 1.00 1.07 H new ATOM 0 HG12 ILE A 53 0.269 -9.854 -3.692 1.00 1.01 H new ATOM 0 HG13 ILE A 53 -0.380 -11.356 -4.320 1.00 1.01 H new ATOM 0 HG21 ILE A 53 1.517 -10.405 -1.254 1.00 1.04 H new ATOM 0 HG22 ILE A 53 3.018 -11.224 -1.747 1.00 1.04 H new ATOM 0 HG23 ILE A 53 2.440 -9.805 -2.651 1.00 1.04 H new ATOM 0 HD11 ILE A 53 -1.888 -10.399 -2.604 1.00 1.37 H new ATOM 0 HD12 ILE A 53 -1.225 -11.955 -2.051 1.00 1.37 H new ATOM 0 HD13 ILE A 53 -0.566 -10.429 -1.413 1.00 1.37 H new ATOM 820 N GLY A 54 3.534 -10.215 -4.823 1.00 1.07 N ATOM 821 CA GLY A 54 4.188 -9.198 -5.624 1.00 1.10 C ATOM 822 C GLY A 54 3.501 -7.835 -5.502 1.00 0.94 C ATOM 823 O GLY A 54 2.342 -7.742 -5.104 1.00 0.79 O ATOM 0 H GLY A 54 3.941 -10.306 -3.892 1.00 1.07 H new ATOM 0 HA2 GLY A 54 5.229 -9.107 -5.314 1.00 1.10 H new ATOM 0 HA3 GLY A 54 4.193 -9.508 -6.669 1.00 1.10 H new ATOM 827 N PRO A 55 4.215 -6.753 -5.847 1.00 1.08 N ATOM 828 CA PRO A 55 3.685 -5.399 -5.795 1.00 1.12 C ATOM 829 C PRO A 55 2.571 -5.180 -6.825 1.00 1.05 C ATOM 830 O PRO A 55 1.719 -4.320 -6.623 1.00 1.08 O ATOM 831 CB PRO A 55 4.886 -4.488 -6.062 1.00 1.38 C ATOM 832 CG PRO A 55 5.813 -5.357 -6.912 1.00 1.51 C ATOM 833 CD PRO A 55 5.582 -6.756 -6.343 1.00 1.35 C ATOM 0 HA PRO A 55 3.223 -5.188 -4.830 1.00 1.12 H new ATOM 0 HB2 PRO A 55 4.592 -3.581 -6.589 1.00 1.38 H new ATOM 0 HB3 PRO A 55 5.367 -4.176 -5.135 1.00 1.38 H new ATOM 0 HG2 PRO A 55 5.559 -5.304 -7.971 1.00 1.51 H new ATOM 0 HG3 PRO A 55 6.854 -5.049 -6.818 1.00 1.51 H new ATOM 0 HD2 PRO A 55 5.720 -7.519 -7.109 1.00 1.35 H new ATOM 0 HD3 PRO A 55 6.289 -6.976 -5.543 1.00 1.35 H new ATOM 841 N ARG A 56 2.581 -5.938 -7.929 1.00 1.00 N ATOM 842 CA ARG A 56 1.586 -5.836 -8.991 1.00 1.00 C ATOM 843 C ARG A 56 0.167 -5.904 -8.414 1.00 0.89 C ATOM 844 O ARG A 56 -0.641 -5.008 -8.638 1.00 0.95 O ATOM 845 CB ARG A 56 1.829 -6.947 -10.023 1.00 1.00 C ATOM 846 CG ARG A 56 0.917 -6.783 -11.247 1.00 2.64 C ATOM 847 CD ARG A 56 1.080 -7.914 -12.269 1.00 3.13 C ATOM 848 NE ARG A 56 2.451 -7.989 -12.807 1.00 3.32 N ATOM 849 CZ ARG A 56 3.422 -8.832 -12.411 1.00 4.10 C ATOM 850 NH1 ARG A 56 3.216 -9.676 -11.393 1.00 4.78 N ATOM 851 NH2 ARG A 56 4.606 -8.820 -13.036 1.00 5.09 N ATOM 0 H ARG A 56 3.292 -6.647 -8.107 1.00 1.00 H new ATOM 0 HA ARG A 56 1.684 -4.871 -9.489 1.00 1.00 H new ATOM 0 HB2 ARG A 56 2.872 -6.930 -10.339 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.651 -7.919 -9.562 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -0.121 -6.745 -10.917 1.00 2.64 H new ATOM 0 HG3 ARG A 56 1.133 -5.830 -11.730 1.00 2.64 H new ATOM 0 HD2 ARG A 56 0.824 -8.864 -11.800 1.00 3.13 H new ATOM 0 HD3 ARG A 56 0.378 -7.764 -13.089 1.00 3.13 H new ATOM 0 HE ARG A 56 2.687 -7.336 -13.554 1.00 3.32 H new ATOM 0 HH11 ARG A 56 2.317 -9.684 -10.911 1.00 4.78 H new ATOM 0 HH12 ARG A 56 3.958 -10.312 -11.099 1.00 4.78 H new ATOM 0 HH21 ARG A 56 4.768 -8.174 -13.808 1.00 5.09 H new ATOM 0 HH22 ARG A 56 5.346 -9.457 -12.740 1.00 5.09 H new ATOM 865 N ASP A 57 -0.118 -6.973 -7.669 1.00 0.77 N ATOM 866 CA ASP A 57 -1.382 -7.184 -6.976 1.00 0.66 C ATOM 867 C ASP A 57 -1.792 -5.925 -6.201 1.00 0.64 C ATOM 868 O ASP A 57 -2.884 -5.383 -6.381 1.00 0.68 O ATOM 869 CB ASP A 57 -1.195 -8.393 -6.052 1.00 0.60 C ATOM 870 CG ASP A 57 -2.212 -8.416 -4.927 1.00 1.70 C ATOM 871 OD1 ASP A 57 -3.387 -8.731 -5.198 1.00 2.50 O ATOM 872 OD2 ASP A 57 -1.803 -8.100 -3.792 1.00 2.97 O ATOM 0 H ASP A 57 0.545 -7.735 -7.530 1.00 0.77 H new ATOM 0 HA ASP A 57 -2.189 -7.381 -7.682 1.00 0.66 H new ATOM 0 HB2 ASP A 57 -1.279 -9.310 -6.635 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -0.190 -8.374 -5.631 1.00 0.60 H new ATOM 877 N ILE A 58 -0.881 -5.441 -5.360 1.00 0.67 N ATOM 878 CA ILE A 58 -1.099 -4.279 -4.517 1.00 0.70 C ATOM 879 C ILE A 58 -1.434 -3.053 -5.368 1.00 0.84 C ATOM 880 O ILE A 58 -2.481 -2.436 -5.174 1.00 0.82 O ATOM 881 CB ILE A 58 0.116 -4.073 -3.592 1.00 0.84 C ATOM 882 CG1 ILE A 58 0.197 -5.268 -2.622 1.00 0.77 C ATOM 883 CG2 ILE A 58 0.010 -2.732 -2.849 1.00 0.96 C ATOM 884 CD1 ILE A 58 1.471 -5.277 -1.777 1.00 1.11 C ATOM 0 H ILE A 58 0.044 -5.856 -5.247 1.00 0.67 H new ATOM 0 HA ILE A 58 -1.963 -4.441 -3.873 1.00 0.70 H new ATOM 0 HB ILE A 58 1.035 -4.031 -4.177 1.00 0.84 H new ATOM 0 HG12 ILE A 58 -0.669 -5.249 -1.960 1.00 0.77 H new ATOM 0 HG13 ILE A 58 0.142 -6.195 -3.193 1.00 0.77 H new ATOM 0 HG21 ILE A 58 0.877 -2.605 -2.201 1.00 0.96 H new ATOM 0 HG22 ILE A 58 -0.025 -1.917 -3.572 1.00 0.96 H new ATOM 0 HG23 ILE A 58 -0.898 -2.721 -2.246 1.00 0.96 H new ATOM 0 HD11 ILE A 58 1.464 -6.144 -1.117 1.00 1.11 H new ATOM 0 HD12 ILE A 58 2.341 -5.327 -2.431 1.00 1.11 H new ATOM 0 HD13 ILE A 58 1.518 -4.366 -1.180 1.00 1.11 H new ATOM 896 N ILE A 59 -0.561 -2.674 -6.302 1.00 1.01 N ATOM 897 CA ILE A 59 -0.784 -1.452 -7.064 1.00 1.19 C ATOM 898 C ILE A 59 -2.025 -1.555 -7.952 1.00 1.13 C ATOM 899 O ILE A 59 -2.774 -0.586 -8.038 1.00 1.24 O ATOM 900 CB ILE A 59 0.488 -0.944 -7.767 1.00 1.39 C ATOM 901 CG1 ILE A 59 1.115 -1.889 -8.796 1.00 2.75 C ATOM 902 CG2 ILE A 59 1.519 -0.560 -6.701 1.00 2.02 C ATOM 903 CD1 ILE A 59 0.764 -1.462 -10.223 1.00 4.45 C ATOM 0 H ILE A 59 0.288 -3.185 -6.543 1.00 1.01 H new ATOM 0 HA ILE A 59 -1.016 -0.658 -6.355 1.00 1.19 H new ATOM 0 HB ILE A 59 0.172 -0.085 -8.359 1.00 1.39 H new ATOM 0 HG12 ILE A 59 2.198 -1.899 -8.672 1.00 2.75 H new ATOM 0 HG13 ILE A 59 0.765 -2.906 -8.621 1.00 2.75 H new ATOM 0 HG21 ILE A 59 2.426 -0.198 -7.186 1.00 2.02 H new ATOM 0 HG22 ILE A 59 1.110 0.225 -6.065 1.00 2.02 H new ATOM 0 HG23 ILE A 59 1.756 -1.433 -6.093 1.00 2.02 H new ATOM 0 HD11 ILE A 59 1.223 -2.151 -10.932 1.00 4.45 H new ATOM 0 HD12 ILE A 59 -0.318 -1.476 -10.351 1.00 4.45 H new ATOM 0 HD13 ILE A 59 1.137 -0.454 -10.403 1.00 4.45 H new ATOM 915 N HIS A 60 -2.301 -2.724 -8.542 1.00 1.00 N ATOM 916 CA HIS A 60 -3.573 -2.964 -9.219 1.00 1.06 C ATOM 917 C HIS A 60 -4.735 -2.694 -8.256 1.00 0.93 C ATOM 918 O HIS A 60 -5.671 -1.970 -8.588 1.00 0.93 O ATOM 919 CB HIS A 60 -3.650 -4.403 -9.754 1.00 1.19 C ATOM 920 CG HIS A 60 -2.898 -4.663 -11.037 1.00 1.51 C ATOM 921 ND1 HIS A 60 -3.355 -5.436 -12.081 1.00 3.02 N ATOM 922 CD2 HIS A 60 -1.643 -4.226 -11.372 1.00 1.51 C ATOM 923 CE1 HIS A 60 -2.393 -5.464 -13.019 1.00 3.07 C ATOM 924 NE2 HIS A 60 -1.325 -4.749 -12.630 1.00 2.08 N ATOM 0 H HIS A 60 -1.658 -3.516 -8.562 1.00 1.00 H new ATOM 0 HA HIS A 60 -3.645 -2.284 -10.068 1.00 1.06 H new ATOM 0 HB2 HIS A 60 -3.269 -5.077 -8.987 1.00 1.19 H new ATOM 0 HB3 HIS A 60 -4.698 -4.658 -9.910 1.00 1.19 H new ATOM 0 HD2 HIS A 60 -1.011 -3.590 -10.771 1.00 1.51 H new ATOM 0 HE1 HIS A 60 -2.469 -5.991 -13.959 1.00 3.07 H new ATOM 0 HE2 HIS A 60 -0.456 -4.614 -13.148 1.00 2.08 H new ATOM 932 N THR A 61 -4.684 -3.268 -7.051 1.00 0.84 N ATOM 933 CA THR A 61 -5.728 -3.049 -6.061 1.00 0.78 C ATOM 934 C THR A 61 -5.906 -1.556 -5.779 1.00 0.81 C ATOM 935 O THR A 61 -7.021 -1.052 -5.824 1.00 0.89 O ATOM 936 CB THR A 61 -5.445 -3.858 -4.789 1.00 0.70 C ATOM 937 OG1 THR A 61 -5.359 -5.221 -5.140 1.00 0.75 O ATOM 938 CG2 THR A 61 -6.569 -3.708 -3.757 1.00 0.74 C ATOM 0 H THR A 61 -3.932 -3.885 -6.743 1.00 0.84 H new ATOM 0 HA THR A 61 -6.675 -3.408 -6.463 1.00 0.78 H new ATOM 0 HB THR A 61 -4.518 -3.489 -4.351 1.00 0.70 H new ATOM 0 HG1 THR A 61 -4.507 -5.389 -5.594 1.00 0.75 H new ATOM 0 HG21 THR A 61 -6.330 -4.296 -2.871 1.00 0.74 H new ATOM 0 HG22 THR A 61 -6.670 -2.659 -3.479 1.00 0.74 H new ATOM 0 HG23 THR A 61 -7.506 -4.062 -4.186 1.00 0.74 H new ATOM 946 N ILE A 62 -4.828 -0.835 -5.484 1.00 0.84 N ATOM 947 CA ILE A 62 -4.899 0.574 -5.113 1.00 0.93 C ATOM 948 C ILE A 62 -5.395 1.445 -6.272 1.00 1.06 C ATOM 949 O ILE A 62 -6.220 2.337 -6.060 1.00 1.11 O ATOM 950 CB ILE A 62 -3.531 1.000 -4.575 1.00 1.01 C ATOM 951 CG1 ILE A 62 -3.281 0.226 -3.269 1.00 1.07 C ATOM 952 CG2 ILE A 62 -3.458 2.510 -4.315 1.00 1.15 C ATOM 953 CD1 ILE A 62 -1.868 0.494 -2.784 1.00 1.94 C ATOM 0 H ILE A 62 -3.880 -1.212 -5.496 1.00 0.84 H new ATOM 0 HA ILE A 62 -5.639 0.716 -4.325 1.00 0.93 H new ATOM 0 HB ILE A 62 -2.768 0.773 -5.319 1.00 1.01 H new ATOM 0 HG12 ILE A 62 -4.001 0.531 -2.510 1.00 1.07 H new ATOM 0 HG13 ILE A 62 -3.424 -0.842 -3.434 1.00 1.07 H new ATOM 0 HG21 ILE A 62 -2.469 2.766 -3.934 1.00 1.15 H new ATOM 0 HG22 ILE A 62 -3.639 3.049 -5.245 1.00 1.15 H new ATOM 0 HG23 ILE A 62 -4.213 2.790 -3.581 1.00 1.15 H new ATOM 0 HD11 ILE A 62 -1.691 -0.054 -1.859 1.00 1.94 H new ATOM 0 HD12 ILE A 62 -1.155 0.168 -3.541 1.00 1.94 H new ATOM 0 HD13 ILE A 62 -1.742 1.561 -2.603 1.00 1.94 H new ATOM 965 N GLU A 63 -4.918 1.177 -7.491 1.00 1.13 N ATOM 966 CA GLU A 63 -5.450 1.764 -8.707 1.00 1.28 C ATOM 967 C GLU A 63 -6.963 1.549 -8.743 1.00 1.27 C ATOM 968 O GLU A 63 -7.732 2.490 -8.920 1.00 1.42 O ATOM 969 CB GLU A 63 -4.718 1.098 -9.879 1.00 1.34 C ATOM 970 CG GLU A 63 -4.949 1.762 -11.237 1.00 1.44 C ATOM 971 CD GLU A 63 -6.274 1.389 -11.898 1.00 2.99 C ATOM 972 OE1 GLU A 63 -6.781 0.289 -11.590 1.00 3.81 O ATOM 973 OE2 GLU A 63 -6.737 2.204 -12.723 1.00 4.13 O ATOM 0 H GLU A 63 -4.141 0.537 -7.655 1.00 1.13 H new ATOM 0 HA GLU A 63 -5.289 2.841 -8.762 1.00 1.28 H new ATOM 0 HB2 GLU A 63 -3.649 1.096 -9.668 1.00 1.34 H new ATOM 0 HB3 GLU A 63 -5.032 0.056 -9.941 1.00 1.34 H new ATOM 0 HG2 GLU A 63 -4.910 2.844 -11.111 1.00 1.44 H new ATOM 0 HG3 GLU A 63 -4.133 1.489 -11.906 1.00 1.44 H new ATOM 980 N SER A 64 -7.380 0.309 -8.482 1.00 1.15 N ATOM 981 CA SER A 64 -8.785 -0.078 -8.525 1.00 1.21 C ATOM 982 C SER A 64 -9.598 0.647 -7.440 1.00 1.13 C ATOM 983 O SER A 64 -10.701 1.124 -7.703 1.00 1.16 O ATOM 984 CB SER A 64 -8.899 -1.605 -8.462 1.00 1.18 C ATOM 985 OG SER A 64 -10.235 -2.037 -8.637 1.00 1.64 O ATOM 0 H SER A 64 -6.750 -0.454 -8.235 1.00 1.15 H new ATOM 0 HA SER A 64 -9.224 0.238 -9.471 1.00 1.21 H new ATOM 0 HB2 SER A 64 -8.269 -2.049 -9.233 1.00 1.18 H new ATOM 0 HB3 SER A 64 -8.525 -1.959 -7.501 1.00 1.18 H new ATOM 0 HG SER A 64 -10.271 -3.015 -8.593 1.00 1.64 H new ATOM 991 N LEU A 65 -9.060 0.760 -6.218 1.00 1.07 N ATOM 992 CA LEU A 65 -9.676 1.550 -5.153 1.00 1.00 C ATOM 993 C LEU A 65 -9.831 3.000 -5.602 1.00 1.03 C ATOM 994 O LEU A 65 -10.890 3.595 -5.404 1.00 1.39 O ATOM 995 CB LEU A 65 -8.846 1.500 -3.862 1.00 0.95 C ATOM 996 CG LEU A 65 -8.793 0.121 -3.190 1.00 0.87 C ATOM 997 CD1 LEU A 65 -7.855 0.200 -1.980 1.00 1.70 C ATOM 998 CD2 LEU A 65 -10.182 -0.353 -2.748 1.00 1.80 C ATOM 0 H LEU A 65 -8.188 0.306 -5.944 1.00 1.07 H new ATOM 0 HA LEU A 65 -10.656 1.120 -4.946 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -7.828 1.819 -4.087 1.00 0.95 H new ATOM 0 HB3 LEU A 65 -9.256 2.219 -3.153 1.00 0.95 H new ATOM 0 HG LEU A 65 -8.421 -0.604 -3.914 1.00 0.87 H new ATOM 0 HD11 LEU A 65 -7.808 -0.774 -1.492 1.00 1.70 H new ATOM 0 HD12 LEU A 65 -6.858 0.489 -2.311 1.00 1.70 H new ATOM 0 HD13 LEU A 65 -8.232 0.941 -1.275 1.00 1.70 H new ATOM 0 HD21 LEU A 65 -10.099 -1.333 -2.277 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -10.599 0.358 -2.035 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -10.836 -0.422 -3.617 1.00 1.80 H new ATOM 1010 N GLY A 66 -8.770 3.559 -6.188 1.00 0.85 N ATOM 1011 CA GLY A 66 -8.817 4.852 -6.856 1.00 0.80 C ATOM 1012 C GLY A 66 -7.798 5.812 -6.264 1.00 0.75 C ATOM 1013 O GLY A 66 -8.100 6.985 -6.051 1.00 0.84 O ATOM 0 H GLY A 66 -7.849 3.120 -6.210 1.00 0.85 H new ATOM 0 HA2 GLY A 66 -8.623 4.722 -7.921 1.00 0.80 H new ATOM 0 HA3 GLY A 66 -9.817 5.276 -6.764 1.00 0.80 H new ATOM 1017 N PHE A 67 -6.582 5.319 -6.024 1.00 0.75 N ATOM 1018 CA PHE A 67 -5.437 6.132 -5.648 1.00 0.72 C ATOM 1019 C PHE A 67 -4.307 5.727 -6.586 1.00 0.81 C ATOM 1020 O PHE A 67 -4.354 4.627 -7.129 1.00 1.06 O ATOM 1021 CB PHE A 67 -5.088 5.892 -4.175 1.00 0.81 C ATOM 1022 CG PHE A 67 -6.282 5.917 -3.240 1.00 0.85 C ATOM 1023 CD1 PHE A 67 -7.032 7.099 -3.104 1.00 1.88 C ATOM 1024 CD2 PHE A 67 -6.727 4.737 -2.615 1.00 1.70 C ATOM 1025 CE1 PHE A 67 -8.166 7.125 -2.278 1.00 1.90 C ATOM 1026 CE2 PHE A 67 -7.842 4.769 -1.761 1.00 1.72 C ATOM 1027 CZ PHE A 67 -8.550 5.968 -1.577 1.00 0.92 C ATOM 0 H PHE A 67 -6.367 4.324 -6.088 1.00 0.75 H new ATOM 0 HA PHE A 67 -5.635 7.200 -5.742 1.00 0.72 H new ATOM 0 HB2 PHE A 67 -4.590 4.927 -4.084 1.00 0.81 H new ATOM 0 HB3 PHE A 67 -4.374 6.651 -3.854 1.00 0.81 H new ATOM 0 HD1 PHE A 67 -6.734 7.990 -3.637 1.00 1.88 H new ATOM 0 HD2 PHE A 67 -6.210 3.805 -2.792 1.00 1.70 H new ATOM 0 HE1 PHE A 67 -8.743 8.033 -2.181 1.00 1.90 H new ATOM 0 HE2 PHE A 67 -8.155 3.872 -1.246 1.00 1.72 H new ATOM 0 HZ PHE A 67 -9.389 6.001 -0.898 1.00 0.92 H new ATOM 1037 N GLU A 68 -3.325 6.602 -6.811 1.00 0.86 N ATOM 1038 CA GLU A 68 -2.336 6.420 -7.869 1.00 1.03 C ATOM 1039 C GLU A 68 -0.978 6.051 -7.269 1.00 0.93 C ATOM 1040 O GLU A 68 -0.310 6.937 -6.733 1.00 1.07 O ATOM 1041 CB GLU A 68 -2.267 7.712 -8.690 1.00 1.34 C ATOM 1042 CG GLU A 68 -1.349 7.608 -9.916 1.00 2.11 C ATOM 1043 CD GLU A 68 -0.694 8.948 -10.189 1.00 2.55 C ATOM 1044 OE1 GLU A 68 0.212 9.318 -9.416 1.00 3.06 O ATOM 1045 OE2 GLU A 68 -1.121 9.671 -11.112 1.00 3.39 O ATOM 0 H GLU A 68 -3.195 7.454 -6.265 1.00 0.86 H new ATOM 0 HA GLU A 68 -2.624 5.599 -8.526 1.00 1.03 H new ATOM 0 HB2 GLU A 68 -3.271 7.978 -9.019 1.00 1.34 H new ATOM 0 HB3 GLU A 68 -1.916 8.522 -8.050 1.00 1.34 H new ATOM 0 HG2 GLU A 68 -0.586 6.849 -9.746 1.00 2.11 H new ATOM 0 HG3 GLU A 68 -1.925 7.291 -10.786 1.00 2.11 H new ATOM 1052 N PRO A 69 -0.576 4.769 -7.317 1.00 0.81 N ATOM 1053 CA PRO A 69 0.606 4.286 -6.629 1.00 0.81 C ATOM 1054 C PRO A 69 1.891 4.481 -7.434 1.00 0.88 C ATOM 1055 O PRO A 69 1.878 4.486 -8.663 1.00 1.72 O ATOM 1056 CB PRO A 69 0.348 2.801 -6.386 1.00 0.74 C ATOM 1057 CG PRO A 69 -0.477 2.405 -7.607 1.00 0.74 C ATOM 1058 CD PRO A 69 -1.322 3.646 -7.867 1.00 0.82 C ATOM 0 HA PRO A 69 0.763 4.847 -5.708 1.00 0.81 H new ATOM 0 HB2 PRO A 69 1.276 2.233 -6.322 1.00 0.74 H new ATOM 0 HB3 PRO A 69 -0.195 2.630 -5.457 1.00 0.74 H new ATOM 0 HG2 PRO A 69 0.156 2.162 -8.460 1.00 0.74 H new ATOM 0 HG3 PRO A 69 -1.096 1.530 -7.409 1.00 0.74 H new ATOM 0 HD2 PRO A 69 -1.497 3.781 -8.934 1.00 0.82 H new ATOM 0 HD3 PRO A 69 -2.299 3.558 -7.392 1.00 0.82 H new ATOM 1066 N SER A 70 3.018 4.573 -6.724 1.00 0.81 N ATOM 1067 CA SER A 70 4.373 4.488 -7.254 1.00 1.04 C ATOM 1068 C SER A 70 5.316 4.193 -6.090 1.00 0.84 C ATOM 1069 O SER A 70 5.192 4.808 -5.033 1.00 0.89 O ATOM 1070 CB SER A 70 4.780 5.804 -7.926 1.00 1.34 C ATOM 1071 OG SER A 70 4.136 5.956 -9.173 1.00 2.50 O ATOM 0 H SER A 70 3.005 4.716 -5.714 1.00 0.81 H new ATOM 0 HA SER A 70 4.424 3.699 -8.004 1.00 1.04 H new ATOM 0 HB2 SER A 70 4.525 6.642 -7.277 1.00 1.34 H new ATOM 0 HB3 SER A 70 5.861 5.826 -8.066 1.00 1.34 H new ATOM 0 HG SER A 70 3.332 5.397 -9.196 1.00 2.50 H new ATOM 1077 N LEU A 71 6.259 3.264 -6.269 1.00 1.04 N ATOM 1078 CA LEU A 71 7.297 3.012 -5.272 1.00 1.02 C ATOM 1079 C LEU A 71 8.021 4.320 -4.944 1.00 1.11 C ATOM 1080 O LEU A 71 8.262 5.124 -5.843 1.00 1.50 O ATOM 1081 CB LEU A 71 8.243 1.894 -5.733 1.00 1.32 C ATOM 1082 CG LEU A 71 9.117 2.287 -6.936 1.00 1.79 C ATOM 1083 CD1 LEU A 71 10.522 2.712 -6.492 1.00 3.02 C ATOM 1084 CD2 LEU A 71 9.234 1.113 -7.913 1.00 2.60 C ATOM 0 H LEU A 71 6.323 2.674 -7.098 1.00 1.04 H new ATOM 0 HA LEU A 71 6.842 2.653 -4.349 1.00 1.02 H new ATOM 0 HB2 LEU A 71 8.889 1.610 -4.902 1.00 1.32 H new ATOM 0 HB3 LEU A 71 7.654 1.015 -5.994 1.00 1.32 H new ATOM 0 HG LEU A 71 8.636 3.132 -7.428 1.00 1.79 H new ATOM 0 HD11 LEU A 71 11.113 2.983 -7.366 1.00 3.02 H new ATOM 0 HD12 LEU A 71 10.448 3.570 -5.823 1.00 3.02 H new ATOM 0 HD13 LEU A 71 11.004 1.886 -5.970 1.00 3.02 H new ATOM 0 HD21 LEU A 71 9.855 1.405 -8.760 1.00 2.60 H new ATOM 0 HD22 LEU A 71 9.688 0.262 -7.406 1.00 2.60 H new ATOM 0 HD23 LEU A 71 8.242 0.836 -8.269 1.00 2.60 H new